SCHEMBL10046775

SCHEMBL10046775

CCCNC(=O)COc1c(C)cccc1Cc1cccc(Cc2cccc(Cc3cccc(CC)c3OCC(=O)NCCC)c2OCC(=O)NCCC)c1OCC(=O)NCCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.51
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ LGALS1 P09382 1/20 0.41
▸ ALPL P05186 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14213239 0.83 KMT2A (0.45) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL13992490 0.82 KMT2A (0.46) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL10046741 0.82 KMT2A (0.43) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL13992476 0.82 LGALS1 (0.63) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL14213247 0.81 KMT2A (0.43) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL13992489 0.80 LGALS1 (0.55) KMT2APTGDR2ALDH1A1THRBMEN1
SCHEMBL10046739 0.80 LGALS1 (0.55) KMT2AALDH1A1THRBTSHRPOLB
SCHEMBL14213241 0.79 LGALS1 (0.54) KMT2AALDH1A1THRBTSHRPOLB
SCHEMBL15479693 0.77 BCHE (0.43) KMT2APTGDR2BCHEACHEALDH1A1
SCHEMBL15698374 0.77 BCHE (0.43) KMT2APTGDR2BCHEACHEALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121278-A1 ANTI-TUMOR AGENT OTX-008 TARGETS HUMAN GALECTIN-1 REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-01 — — US disclosed
US-8642656-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-04 — — US disclosed
US-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-02-07 — — US disclosed
US-8207228-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-06-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130035394-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU KMT2A 4742/4885PTGDR2 1955/4885BCHE 563/4885
US-20140121278-A1 ANTI-TUMOR AGENT OTX-008 TARGETS HUMAN GALECTIN-1 LGALS1, LGALS2, LGALS4 KMT2A 4388/4885PTGDR2 3995/4885BCHE 4187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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